Chemical ID: 4115893

c1c(cc(c(c1F)F)F)C=O
Chemical ID:
4115893
Name [?]:
3,4,5-trifluorobenzaldehyde
SMILES [?]:
c1c(cc(c(c1F)F)F)C=O
InChi [?]:
InChI=1/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChi Info:
AuxInfo=1/0/N:1,3,10,2,6,4,5,7,9,8,11/E:(1,2)(5,6)(8,9)/rA:11nCCCCCCFFFCO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3F3O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:2.05069
Area:278.099
Solvation:-4.90179
Coulombic:-16.1256
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.093
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.2
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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